SCHEMBL8004571

SCHEMBL8004571

CC(C)(O)c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.62
KCNH2 Q12809 3/20 0.62
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKA O14965 5/20 0.36
PTGES O14684 1/20 0.35
PTGS2 P35354 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1961307 0.90 FAAH (0.77) FAAHKCNH2ALDH1A1MAPTHPGD
SCHEMBL1535225 0.86 FAAH (0.59) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL1963861 0.81 FAAH (0.52) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL15016140 0.81 FAAH (0.52) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL1535388 0.79 FAAH (0.50) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL1960584 0.79 FAAH (0.50) FAAHKCNH2KDM4EALDH1A1MAPT
SCHEMBL1959250 0.77 FAAH (1.00) FAAHKCNH2ALDH1A1MAPTHPGD
SCHEMBL7992233 0.76 FAAH (0.62) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL1535313 0.76 FAAH (0.49) FAAHKCNH2KDM4ELMNAALDH1A1
SCHEMBL1961515 0.76 FAAH (0.68) FAAHKCNH2KDM4ELMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 FAAH 1/4885KCNH2 930/4885KDM4E 1303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.